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Intermolecular Interaction Analysis by using Crystal Explorer Crystal structure analysis by generating Hirshfeld Surface with the ...

Difference between Multipole expansion and Hirshfeld surface is in the partitioning of space between atoms ...

This video was created using models, images, and inspiration from the Proteopedia page: The Ramachandran Principle Phi (φ) ...

This lesson describes the cluster, skeleton, edge net and ring net simplifications methods.

Discusses generating and viewing of surfaces that do not require quantum chemistry calculations. Also includes viewing element ...

In this video of the CSDU module “Analysing intermolecular interactions 101 - Full Interaction Maps”, we will explore in detail one ...

... X-ray Crystal Structure and Hirshfeld Surface Analysis Authors: Mezna Saleh Altowyan, Matti Haukka, Saied M. Soliman, Assem ...

In this video we show how to convert a .fchk to a .wfx file using Multiwfn. The .wfx can later be used as input for the Chargemol ...

Statistics for Experimentalists by Dr. A. Kannan,Department of Chemical Engineering,IIT Madras.For more details on NPTEL visit ...

Important Note: The MCLF program will be publicly released in the near future. (In the meantime, if you would like to use the MCLF ...

This is a video on the theory that DDEC6 uses to calculate Net Atomic Charges. For more information please visit the original ...

And when you even look at the surface of these materials, you will see that their shape resembles fivefold rotational symmetry.

Tackling global challenges in sustainable energy production calls for the rational design of new generations of clean materials, ...

In this lesson we will describe how you can use ToposPro to perform a comprehensive topological analysis of MOFs. We will show ...

In this Mercury software tutorial, you will learn the basics of visualizing hydrogen bonds. Using CCDC's Mercury, you can ...

This tutorial explains how to run PDB tools via the GUI. PDB tools documentation page: ...

This lecture is the final video in a series of lectures covering quantum mechanics and quantum chemistry calculations.

This video will cover changing Gaussian calculation defaults and defining schemes to run jobs. 0:15 Gaussian Calculation Setup ...

Unit 2.7 of our course The Fascination of Crystals and Symmetry In this unit we will introduce a software that allows the 3D ...

Integration of USPEX to the GDIS visualization software. This is the presentation for the tutorial session 3 of the 17th USPEX ...